Tert-Butoxycarbonyl-beta-Phenacyl-Aspartyl-Phenylalanineamide
[CAS# 82006-97-1]

Identification

• Name: Tert-Butoxycarbonyl-beta-Phenacyl-Aspartyl-Phenylalanineamide
• Synonyms: (3S)-3-(Tert-Butoxycarbonylamino)-4-Oxo-4-[[(1S)-2-Oxo-2-[(2-Oxo-2-Phenyl-Ethyl)Amino]-1-(Phenylmethyl)Ethyl]Amino]Butanoic Acid; (3S)-3-[(Tert-Butoxy-Oxomethyl)Amino]-4-Oxo-4-[[(1S)-2-Oxo-2-[(2-Oxo-2-Phenylethyl)Amino]-1-(Phenylmethyl)Ethyl]Amino]Butanoic Acid; (3S)-4-[[(1S)-1-(Benzyl)-2-Keto-2-[(2-Keto-2-Phenyl-Ethyl)Amino]Ethyl]Amino]-3-(Tert-Butoxycarbonylamino)-4-Keto-Butyric Acid
• Molecular Formula: C₂₆H₃₁N₃O₇
• Molecular Weight: 497.55
• CAS Registry Number: 82006-97-1
• SMILES: [C@H](C(=O)NCC(C1=CC=CC=C1)=O)(NC([C@@H](NC(=O)OC(C)(C)C)CC(=O)O)=O)CC2=CC=CC=C2
• InChI: 1S/C26H31N3O7/c1-26(2,3)36-25(35)29-20(15-22(31)32)24(34)28-19(14-17-10-6-4-7-11-17)23(33)27-16-21(30)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19-,20-/m0/s1
• InChIKey: KANKYQLSSLXILV-PMACEKPBSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 816.635°C at 760 mmHg (Cal.)
• Flash point: 447.685°C (Cal.)